| MolName | (4Z)-2-[4-(difluoromethylsulfonyl)phenyl]-4-[[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]methylidene]-1,3-oxazol-5-one |
| MolecularFormula | C26H16N2O5F2S |
| Smiles | O=C1OC(c(cc2)ccc2S(C(F)F)(=O)=O)=N/C1=C\c(cc1)ccc1-c1ncc(-c2ccccc2)o1 |
| InChI | InChI=1S/C26H16F2N2O5S/c27-26(28)36(32,33)20-12-10-19(11-13-20)24-30-21(25(31)35-24)14-16-6-8-18(9-7-16)23-29-15-22(34-23)17-4-2-1-3-5-17/h1-15,26H |
| InChIK | LUWGQORKUUVBDE-UHFFFAOYSA-N |
| TotalMolweight | 506.484 |
| Molweight | 506.484 |
| MonoisotopicMass | 506.074799 |
| CLogP | 4.9771 |
| CLogS | -8.329 |
| H Acceptors | 7 |
| TotalSurfaceArea | 356.7 |
| Relative PSA | 0.24729 |
| PolarSurfaceArea | 107.21 |
| Druglikeness | -0.88129 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 3 |
| Symmetricatoms | 8 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (4Z)-2-[4-(difluoromethylsulfonyl)phenyl]-4-[[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]methylidene]-1,3-oxazol-5-one | 2 - (4Z)-2-[4-(difluoromethylsulfonyl)phenyl]-4-[[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]methylidene]-1,3-oxazol-5-one